6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane

C17H30N6O2 — CID 167626900

IUPAC6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane
SMILESC.CC[C@@H](C)n1nc(N)ccc1=O.CC[C@H](C)n1nc(N)ccc1=O
InChIInChI=1S/2C8H13N3O.CH4/c2*1-3-6(2)11-8(12)5-4-7(9)10-11;/h2*4-6H,3H2,1-2H3,(H2,9,10);1H4/t2*6-;/m10./s1
InChIKeyNFSIPMFAMOWVSB-NSMBSDNGSA-N
MW350.47 g/mol
LogP2.23
Rot. Bonds4

About 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane

6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane (PubChem CID 167626900) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane.

Molecular Properties

Compound Name6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane
PubChem CID167626900
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane
SMILESC.CC[C@@H](C)n1nc(N)ccc1=O.CC[C@H](C)n1nc(N)ccc1=O
InChIInChI=1S/2C8H13N3O.CH4/c2*1-3-6(2)11-8(12)5-4-7(9)10-11;/h2*4-6H,3H2,1-2H3,(H2,9,10);1H4/t2*6-;/m10./s1
InChIKeyNFSIPMFAMOWVSB-NSMBSDNGSA-N
XLogP2.23
TPSA121.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane?
The IUPAC name of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane (CID 167626900) is 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane.
What is the SMILES notation for 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane?
The canonical SMILES for 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane is C.CC[C@@H](C)n1nc(N)ccc1=O.CC[C@H](C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane?
The InChIKey is NFSIPMFAMOWVSB-NSMBSDNGSA-N. The full InChI is InChI=1S/2C8H13N3O.CH4/c2*1-3-6(2)11-8(12)5-4-7(9)10-11;/h2*4-6H,3H2,1-2H3,(H2,9,10);1H4/t2*6-;/m10./s1.
What are the key properties of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane?
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane has a molecular weight of 350.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane is sourced from PubChem (CID 167626900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).